2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H29N3O — CID 62781702

IUPAC2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-6-8-18(9-7-17)15(19)11-13-4-3-5-14(16)10-13/h12-14H,3-11,16H2,1-2H3
InChIKeyIBJSNJRPFPBZEF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 62781702) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID62781702
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-6-8-18(9-7-17)15(19)11-13-4-3-5-14(16)10-13/h12-14H,3-11,16H2,1-2H3
InChIKeyIBJSNJRPFPBZEF-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
CID 62782273
2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 55116567
2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102746252
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
2-(3-aminocyclohexyl)-1-(2,2-dimethylmorpholin-4-yl)ethanone
CID 62781870
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62783542
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 62781702) is 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CC2CCCC(N)C2)CC1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IBJSNJRPFPBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-6-8-18(9-7-17)15(19)11-13-4-3-5-14(16)10-13/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62781702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).